rel-(5R,7S)-7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | G951-0065 |
| Compound Name: | rel-(5R,7S)-7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C19 H19 F2 N5 O3 |
| Smiles: | COc1cccc(c1)[C@@H]1C[C@H](c2cccc(c2OC(F)F)OC)n2c(N1)nnn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0411 |
| logD: | 3.0411 |
| logSw: | -3.3728 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.498 |
| InChI Key: | KNOJHFWORTZYPQ-GJZGRUSLSA-N |